5-(cyclopentylamino)-1-methyl-N-[2-(morpholin-4-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

• ChemBase ID: 504872
• Molecular Formular: C20H33N5O2
• Molecular Mass: 375.50832
• Monoisotopic Mass: 375.26342532
• SMILES: c1(c2c(n(n1)C)CCC(C2)NC1CCCC1)C(=O)NCCN1CCOCC1
• Canonical SMILES: O=C(c1nn(c2c1CC(CC2)NC1CCCC1)C)NCCN1CCOCC1
• InChI: InChI=1S/C20H33N5O2/c1-24-18-7-6-16(22-15-4-2-3-5-15)14-17(18)19(23-24)20(26)21-8-9-25-10-12-27-13-11-25/h15-16,22H,2-14H2,1H3,(H,21,26)
• InChIKey: UJHHFVPRCOTYBY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(cyclopentylamino)-1-methyl-N-[2-(morpholin-4-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
• IUPAC Traditional name: 5-(cyclopentylamino)-1-methyl-N-[2-(morpholin-4-yl)ethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
• Synonyms: 5-(cyclopentylamino)-1-methyl-N-[2-(4-morpholinyl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.278625
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -2.5510273
• LogD (pH = 7.4): -1.3660096
• Log P: 1.1714464
• Molar Refractivity: 117.6866 cm^3
• Polarizability: 40.775543 Å^3
• Polar Surface Area: 71.42 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 2
• Log P: 1.43
• LOG S: -2.72
• Polar Surface Area: 71.42 Å^2
• Rotatable Bonds: 6